%chk=000256727.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256727

0 1
O -5.773869 -1.554837 -1.486304
N 4.173053 1.280045 0.028355
N 4.809131 -1.084323 -0.189597
N 5.943052 -1.842795 -0.244071
N 6.526192 0.400151 -0.027591
C -2.385308 0.878218 0.193269
C -1.366433 -0.228299 -0.209832
C -3.765098 0.448126 -0.320185
C -4.224175 -0.883911 0.348973
C 0.073138 0.136010 0.282361
C 0.460989 1.520568 -0.322338
C -1.812332 -1.623491 0.283235
C -3.256368 -1.986265 -0.107389
C -1.966428 2.233255 -0.402192
C -4.968754 1.388885 -0.137359
C -5.697915 -0.993812 -0.160761
C -0.553712 2.617258 0.046177
C -6.191139 0.462520 -0.329597
C 1.071472 -0.912230 -0.288323
C -4.280556 -0.823341 1.883581
C 0.156817 0.140044 1.814712
C 1.869600 1.954506 0.115189
C 2.512238 -0.518564 -0.176144
C 2.901138 0.872948 -0.026221
C 3.483535 -1.495352 -0.251828
C 5.168183 0.335106 -0.052094
C 6.956548 -0.926079 -0.145126
H -2.409559 0.968226 1.304789
H -1.340859 -0.262359 -1.328105
H -3.676403 0.253454 -1.423202
H 0.463054 1.412079 -1.436735
H -1.708572 -1.676139 1.386587
H -1.131704 -2.395633 -0.122250
H -3.329077 -2.116073 -1.205390
H -3.528068 -2.959051 0.339290
H -2.683419 3.016748 -0.091379
H -2.020672 2.200589 -1.507242
H -4.963911 2.208975 -0.871673
H -4.972710 1.857793 0.859743
H -6.343298 -1.601234 0.500112
H -0.259406 3.575539 -0.423170
H -0.541772 2.800509 1.138313
H -6.996612 0.697587 0.380875
H -6.617956 0.578407 -1.345985
H 0.842308 -1.092635 -1.362312
H 0.901508 -1.885086 0.219016
H -3.298647 -0.584760 2.310112
H -4.975615 -0.052823 2.235042
H -4.597628 -1.779846 2.310344
H 1.189803 0.235843 2.165935
H -0.414890 0.970911 2.244272
H -0.246135 -0.785825 2.242754
H 1.861928 2.294548 1.176754
H 2.184276 2.855339 -0.460169
H -5.526801 -2.496688 -1.475787
H 3.274880 -2.565422 -0.359529
H 8.008757 -1.191214 -0.155408


%chk=000256727-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256727

0 1
O -5.682895 -1.479239 -1.711913
N 4.253829 1.270087 -0.085971
N 4.856824 -1.083206 -0.220291
N 6.001066 -1.879028 -0.275275
N 6.573582 0.400381 -0.172325
C -2.405260 0.893030 0.251569
C -1.368081 -0.229399 -0.089462
C -3.790574 0.456207 -0.266651
C -4.284618 -0.898184 0.329340
C 0.100069 0.138831 0.351282
C 0.476588 1.516291 -0.304902
C -1.839336 -1.624428 0.415390
C -3.269883 -1.995807 -0.063885
C -1.970181 2.244291 -0.365990
C -5.004914 1.398991 -0.092879
C -5.708827 -1.002556 -0.311409
C -0.534814 2.632930 0.038639
C -6.232921 0.464710 -0.357900
C 1.083846 -0.920365 -0.234608
C -4.487194 -0.862925 1.868219
C 0.253808 0.178503 1.895383
C 1.914616 1.960804 0.041244
C 2.550438 -0.519080 -0.168622
C 2.956738 0.870546 -0.088208
C 3.546505 -1.493307 -0.226542
C 5.209985 0.307017 -0.155324
C 6.984495 -0.913296 -0.240942
H -2.454973 1.020605 1.354316
H -1.344066 -0.284307 -1.204737
H -3.684861 0.276461 -1.361108
H 0.425130 1.356374 -1.406117
H -1.809452 -1.656529 1.521301
H -1.141400 -2.407597 0.062362
H -3.256266 -2.098188 -1.168176
H -3.554555 -2.980782 0.361317
H -2.677411 3.040080 -0.062768
H -2.033007 2.168612 -1.472764
H -4.984077 2.251779 -0.793442
H -5.033768 1.819135 0.931369
H -6.367499 -1.667304 0.287085
H -0.235259 3.568181 -0.475413
H -0.496167 2.850723 1.125726
H -7.043824 0.628842 0.373255
H -6.655761 0.632245 -1.363537
H 0.812189 -1.094853 -1.297825
H 0.956309 -1.889919 0.282470
H -3.560327 -0.616464 2.412750
H -5.249959 -0.120412 2.163744
H -4.829877 -1.852597 2.225940
H 1.286547 0.432620 2.193602
H -0.418496 0.919707 2.360953
H 0.024370 -0.806043 2.340332
H 1.953011 2.347330 1.080711
H 2.220737 2.811495 -0.595575
H -5.416352 -2.433224 -1.717704
H 3.359907 -2.567971 -0.280241
H 8.032067 -1.203698 -0.271288


